Geometry & MOs

Info

ID:	63043
PubChem CID:	26738206
Reduced:	SN3O3H19C23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	472.163436
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	6.87
IP(EA), eV:	-9.07(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N(C2=NC(=CS2)/C=C\3/C4=CC=CC=C4C(=O)NC3=O)C(=O)C)C

DOS

IR

Vibrations